3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]propionamide Formula: C16H16BrN7O3 MolecularWeight: 434.24734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H16BrN7O3/c1-11-4-2-3-5-12(11)8-23-10-18-16(21-23)19-14(25)6-7-22-9-13(17)15(20-22)24(26)27/h2-5,9-10H,6-8H2,1H3,(H,19,21,25)